methyl 2-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]benzoate

C16H19N3O4 — CID 971573

IUPACmethyl 2-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)Nc1cc(C(C)(C)C)on1
InChIInChI=1S/C16H19N3O4/c1-16(2,3)12-9-13(19-23-12)18-15(21)17-11-8-6-5-7-10(11)14(20)22-4/h5-9H,1-4H3,(H2,17,18,19,21)
InChIKeyUNJFTJROBXMBIH-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.40
Rot. Bonds3

About methyl 2-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]benzoate

methyl 2-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]benzoate (PubChem CID 971573) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is methyl 2-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]benzoate
PubChem CID971573
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC Namemethyl 2-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)Nc1cc(C(C)(C)C)on1
InChIInChI=1S/C16H19N3O4/c1-16(2,3)12-9-13(19-23-12)18-15(21)17-11-8-6-5-7-10(11)14(20)22-4/h5-9H,1-4H3,(H2,17,18,19,21)
InChIKeyUNJFTJROBXMBIH-UHFFFAOYSA-N
XLogP3.40
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]benzoate?
The IUPAC name of methyl 2-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]benzoate (CID 971573) is methyl 2-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]benzoate.
What is the SMILES notation for methyl 2-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]benzoate?
The canonical SMILES for methyl 2-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]benzoate is COC(=O)c1ccccc1NC(=O)Nc1cc(C(C)(C)C)on1.
What is the InChIKey of methyl 2-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]benzoate?
The InChIKey is UNJFTJROBXMBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-16(2,3)12-9-13(19-23-12)18-15(21)17-11-8-6-5-7-10(11)14(20)22-4/h5-9H,1-4H3,(H2,17,18,19,21).
What are the key properties of methyl 2-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]benzoate?
methyl 2-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]benzoate has a molecular weight of 317.35 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]benzoate is sourced from PubChem (CID 971573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).